55965-84-9

Name 5-Chloro-2-methyl-3(2H)-isothiazolone with 2-methyl-3(2H)-isothiazolone
CAS 55965-84-9
EINECS(EC#) 220-239-6
Molecular Formula C4H5NOS.C4H4ClNOS
MDL Number MFCD01716911
Molecular Weight 264.756
MOL File 55965-84-9.mol

Chemical Properties

Boiling point  100.1℃ at 101.325kPa
density  d20 1.19
vapor pressure  0.003-17Pa at 20-45℃
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly), Water
form  Liquid
color  Colorless to light yellow
PH 3.43 at 20℃ and 10g/L
InChI InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3
Contact allergens
Kathon® CG (CG = cosmetic grade) is a 3:1 mixture of CMI and MI, at a 1.5% concentration. It is used for cosmetics and toiletries, metalworking fluids or paints, in which it can be added only periodically or in color film developers. Kathon® 886 MW (MW = metalworking fluids) is a mixture CMI/MI mixture at a 13.9% concentration, mainly contained in metalworking fluids. Kathon® FP 1.5 contains MCI/MI at 1.5% concentration in propylene glycol. Kathon® LX (LX = LateX) contains MCI/MI at a tenfold concentration of Kathon® CG. Kathon® WT (WT = water treatment) is a MCI/MI mixture used in the paper industry. Parmetol® K40, Parmethol® DF 12 and Parmetol® DF 35, Parmetol® A 23, Parmetol® K50, and Parmetol® DF 18 are other brand names of MCI/MI.
InChIKey QYYMDNHUJFIDDQ-UHFFFAOYSA-N
SMILES O=C1C=C(SN1C)Cl.O=C1C=CSN1C
LogP -0.34-0.81 at 10-30℃ and pH5-9
Surface tension 72.6-73mN/m at 1-1.106g/L and 19.5-20℃
Dissociation constant 2.81-4.2 at 20-25℃
EPA Substance Registry System 3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone(55965-84-9)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Corrosion (GHS05)Environment (GHS09)
GHS06,GHS05,GHS09
Signal word  Danger
Hazard statements  H301-H310-H314-H317-H330-H410
Precautionary statements  P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501
REACH Registrations Active
Toxicity
LD50 (mg/kg) orally in rabbits: 30; i.p. in male, female rats: 4.6, 4.3; LC50 (6 day) in trout, sunfish (mg/l): 0.14, 0.54; LC50 (8 day dietary) in Bobwhite quail, Peking duck (mg/kg/day): >60, >100 (J. Am. Coll. Toxicol.)

Raw materials And Preparation Products

Hazard Information

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